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| IUPAC name : | 6-ethyl-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol |
| InChI : | InChI=1/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3 |
| InChIKey : | KIPCKEJKGCXRGA-UHFFFAOYAD |
| SMILES : | CCC1(C(C2CCC1(C2)C)(C)C)O |
| cas number : | 18368-91-7 |
| (EINECS) number : | 242-243-7 |
| beilstein number : | 3044187 |
| fema number : | 3491 |
| coe number : | 10208 |
| jecfa number : | 440 |
| fl. number : | 02.095 |
| XlogP : | 3.10 |
| molecular weight : | 182.3024800 (IUPAC) |
| formula : | C12 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.19.5000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | 2-ETHYL FENCHOL
≥97.0%, FCC, Kosher Odor: A powerful earthy odor with a patchouli topnote For an extremely diffusive patchouli topnote in fragrance compositions. Flavor: earthy Used in herbaceous mixtures and for an earthy note in fruit and vegetable flavors. |
| Penta : | ethylfenchol
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| SAFC GlobalŪ : | 2-Ethylfenchol
≥97%, FCC, Kosher Odor: berry; lime; earthy; vanilla |
organoleptics :
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| odor type : | earthy |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | earthy ground rooty damp musty camphor Luebke, William tgsc, (1989) |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 68 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.94600 to 0.96700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.872 to 8.046
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| refractive index : | 1.47000 to 1.49100 @ 20.00 °C.
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| boiling point : | 105.00 °C. @ 15.00 mm Hg
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| boiling point : | 232.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00801 mm/Hg @ 25.00 °C. |
| flash point : | 192.00 °F. TCC ( 88.89 °C. )
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| logP (o/w) : | 3.78 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.74 (μg/capita/day) |
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| recommendation for 2-ethyl fenchol fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for 2-ethyl fenchol flavor usage levels up to : |
| | 1.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 6-ethyl-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol |
| (EINECS) number : | 242-243-7 |
| chemidplus : | 018368917 |
| EPA Substance Registry Services : | 18368-91-7 |
references :
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| | 6-ethyl-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol |
| fl. number : | 02.095 |
| jecfa number : | 440 |
| pubchem : | 204630 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |